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CAS Number: 9005-00-9
SMILES : CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCO
CHEM : Poly(oxy-1,2-ethanediyl), -octadecyl- -hydroxy-
MOL FOR: C28 H58 O6
MOL WT : 490.77
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 6.34
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 530.97 (Adapted Stein & Brown method)
Melting Pt (deg C): 217.92 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.83E-013 (Modified Grain method)
VP (Pa, 25 deg C) : 2.44E-011 (Modified Grain method)
Subcooled liquid VP: 2.09E-011 mm Hg (25 deg C, Mod-Grain method)
: 2.79E-009 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.01014
log Kow used: 6.34 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.12403 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.02E-013 atm-m3/mole (3.06E-008 Pa-m3/mole)
Group Method: 5.48E-017 atm-m3/mole (5.55E-012 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.165E-011 atm-m3/mole (1.181E-006 Pa-m3/mole)
VP: 1.83E-013 mm Hg (source: MPBPVP)
WS: 0.0101 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.34 (KowWin est)
Log Kaw used: -10.908 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 17.248
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.9557
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5296 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4895 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7552
Biowin6 (MITI Non-Linear Model): 0.6087
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0130
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.79E-009 Pa (2.09E-011 mm Hg)
Log Koa (Koawin est ): 17.248
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.08E+003
Octanol/air (Koa) model: 4.35E+004
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 99.3586 E-12 cm3/molecule-sec
Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.292 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5512 L/kg (MCI method)
Log Koc: 3.741 (MCI method)
Koc : 3694 L/kg (Kow method)
Log Koc: 3.568 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.479 (BCF = 301.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.0214 days (HL = 0.9519 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.437 (BCF = 273.3)
Log BAF Arnot-Gobas method (upper trophic) = 2.479 (BAF = 301.1)
log Kow used: 6.34 (estimated)
Volatilization from Water:
Henry LC: 5.48E-017 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2.367E+013 hours (9.862E+011 days)
Half-Life from Model Lake : 2.582E+014 hours (1.076E+013 days)
Removal In Wastewater Treatment:
Total removal: 93.17 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 92.39 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.39e-005 2.58 1000
Water 10.8 900 1000
Soil 86.1 1.8e+003 1000
Sediment 3.11 8.1e+003 0
Persistence Time: 1.9e+003 hr